3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one

C11H12N2O2 — CID 117206915

IUPAC3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one
SMILESCOc1cccc2c1[nH]c(=O)n2C1CC1
InChIInChI=1S/C11H12N2O2/c1-15-9-4-2-3-8-10(9)12-11(14)13(8)7-5-6-7/h2-4,7H,5-6H2,1H3,(H,12,14)
InChIKeyGIHGZWMIEGYUOK-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.67
Rot. Bonds2

About 3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one

3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one (PubChem CID 117206915) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one
PubChem CID117206915
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one
SMILESCOc1cccc2c1[nH]c(=O)n2C1CC1
InChIInChI=1S/C11H12N2O2/c1-15-9-4-2-3-8-10(9)12-11(14)13(8)7-5-6-7/h2-4,7H,5-6H2,1H3,(H,12,14)
InChIKeyGIHGZWMIEGYUOK-UHFFFAOYSA-N
XLogP1.67
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclobutyl-7-methoxy-1H-benzimidazol-2-one
CID 117206922
3-cyclohexyl-7-methoxy-1H-benzimidazol-2-one
CID 117206936
7-methoxy-3-(oxan-4-yl)-1H-benzimidazol-2-one
CID 117206184
3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-benzimidazol-2-one
CID 117206155
ethyl 4-(4-methoxy-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 69176194
7-methoxy-3-(1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazol-2-one
CID 117206382
N-(1H-indol-6-yl)-4-(4-methoxy-2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carboxamide
CID 155466242
7-methoxy-3-(2-methoxyphenyl)-1H-benzimidazol-2-one
CID 19771132
3-(1-ethylpiperidin-4-yl)-8-methoxy-1H-quinazoline-2,4-dione
CID 117261828
3-cyclobutyl-4-methoxy-1H-benzimidazol-2-one
CID 117209284
1-(4-hydroxycyclohexyl)-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 104966720
7-fluoro-3-[1-(4-methylcyclohexyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 69091210

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one?
The IUPAC name of 3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one (CID 117206915) is 3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one.
What is the SMILES notation for 3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one?
The canonical SMILES for 3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one is COc1cccc2c1[nH]c(=O)n2C1CC1.
What is the InChIKey of 3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one?
The InChIKey is GIHGZWMIEGYUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-15-9-4-2-3-8-10(9)12-11(14)13(8)7-5-6-7/h2-4,7H,5-6H2,1H3,(H,12,14).
What are the key properties of 3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one?
3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one has a molecular weight of 204.23 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one is sourced from PubChem (CID 117206915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).